[2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea

C18H31N5O3 — CID 96578533

IUPAC[2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea
SMILESNC(=O)NCC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C18H31N5O3/c19-18(26)20-12-16(24)21-10-5-15(6-11-21)23-9-3-4-14(13-23)17(25)22-7-1-2-8-22/h14-15H,1-13H2,(H3,19,20,26)/t14-/m0/s1
InChIKeyXXOZVAGKTCEVBL-AWEZNQCLSA-N
MW365.48 g/mol
LogP-0.02
Rot. Bonds4

About [2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea

[2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea (PubChem CID 96578533) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is [2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name[2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea
PubChem CID96578533
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name[2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea
SMILESNC(=O)NCC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C18H31N5O3/c19-18(26)20-12-16(24)21-10-5-15(6-11-21)23-9-3-4-14(13-23)17(25)22-7-1-2-8-22/h14-15H,1-13H2,(H3,19,20,26)/t14-/m0/s1
InChIKeyXXOZVAGKTCEVBL-AWEZNQCLSA-N
XLogP-0.02
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea with MolForge

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Related Compounds

2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 70742658
N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 95557669
(3R)-1-[1-[2-(carbamoylamino)acetyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96574126
4-(dimethylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 70735176
2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95557941
2-hydroxy-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95229160
3-cyclopropyl-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 95403082
2-methoxy-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95562754
2-methoxy-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95562753
3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 56875238
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride
CID 120565731

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea?
The IUPAC name of [2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea (CID 96578533) is [2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea.
What is the SMILES notation for [2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea?
The canonical SMILES for [2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea is NC(=O)NCC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of [2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea?
The InChIKey is XXOZVAGKTCEVBL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H31N5O3/c19-18(26)20-12-16(24)21-10-5-15(6-11-21)23-9-3-4-14(13-23)17(25)22-7-1-2-8-22/h14-15H,1-13H2,(H3,19,20,26)/t14-/m0/s1.
What are the key properties of [2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea?
[2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea has a molecular weight of 365.48 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea is sourced from PubChem (CID 96578533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).