1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea

C19H33N5O2 — CID 128968430

IUPAC1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)NCCC1CCCO1
InChIInChI=1S/C19H33N5O2/c1-22-10-4-6-15(18(22)16-12-21-24(3)14-16)13-23(2)19(25)20-9-8-17-7-5-11-26-17/h12,14-15,17-18H,4-11,13H2,1-3H3,(H,20,25)/t15-,17?,18+/m0/s1
InChIKeyRICFJTWNBWOJRB-DKKDMOBXSA-N
MW363.51 g/mol
LogP2.01
Rot. Bonds6

About 1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea

1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea (PubChem CID 128968430) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea
PubChem CID128968430
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)NCCC1CCCO1
InChIInChI=1S/C19H33N5O2/c1-22-10-4-6-15(18(22)16-12-21-24(3)14-16)13-23(2)19(25)20-9-8-17-7-5-11-26-17/h12,14-15,17-18H,4-11,13H2,1-3H3,(H,20,25)/t15-,17?,18+/m0/s1
InChIKeyRICFJTWNBWOJRB-DKKDMOBXSA-N
XLogP2.01
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129340224
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide
CID 128984569
1-methyl-1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
CID 129332704
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea
CID 128965369
N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(oxan-2-yl)propanamide
CID 129000677
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 129329250
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
CID 97242721
3-(1-methoxybutan-2-yl)-1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]urea
CID 128997167
3-[(1R)-cyclohex-2-en-1-yl]-1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]urea
CID 129331565
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-pyridin-3-ylurea
CID 128996441
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 128967456
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiophene-3-carboxamide
CID 128995979

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea (CID 128968430) is 1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea is CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)NCCC1CCCO1.
What is the InChIKey of 1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea?
The InChIKey is RICFJTWNBWOJRB-DKKDMOBXSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-22-10-4-6-15(18(22)16-12-21-24(3)14-16)13-23(2)19(25)20-9-8-17-7-5-11-26-17/h12,14-15,17-18H,4-11,13H2,1-3H3,(H,20,25)/t15-,17?,18+/m0/s1.
What are the key properties of 1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea?
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea has a molecular weight of 363.51 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 128968430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).