N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide

C21H27N5O — CID 128997868

IUPACN-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H27N5O/c1-24-10-6-8-16(20(24)17-12-22-26(3)14-17)13-25(2)21(27)19-11-15-7-4-5-9-18(15)23-19/h4-5,7,9,11-12,14,16,20,23H,6,8,10,13H2,1-3H3/t16-,20+/m0/s1
InChIKeyILXZFLJRIDLUFD-OXJNMPFZSA-N
MW365.48 g/mol
LogP3.06
Rot. Bonds4

About N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide

N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 128997868) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID128997868
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H27N5O/c1-24-10-6-8-16(20(24)17-12-22-26(3)14-17)13-25(2)21(27)19-11-15-7-4-5-9-18(15)23-19/h4-5,7,9,11-12,14,16,20,23H,6,8,10,13H2,1-3H3/t16-,20+/m0/s1
InChIKeyILXZFLJRIDLUFD-OXJNMPFZSA-N
XLogP3.06
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiophene-3-carboxamide
CID 128995979
3-(furan-2-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]propanamide
CID 129006514
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-pyridin-3-ylurea
CID 128996441
4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 128998259
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-(5-methyl-2-pyridinyl)urea
CID 128965369
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-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-[2-[(2-hydroxycyclohexyl)methyl-methylamino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 110003663
N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63707249
N-[(3-fluorophenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128998061
3-(1-methoxybutan-2-yl)-1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]urea
CID 128997167

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide (CID 128997868) is N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide is CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is ILXZFLJRIDLUFD-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H27N5O/c1-24-10-6-8-16(20(24)17-12-22-26(3)14-17)13-25(2)21(27)19-11-15-7-4-5-9-18(15)23-19/h4-5,7,9,11-12,14,16,20,23H,6,8,10,13H2,1-3H3/t16-,20+/m0/s1.
What are the key properties of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 128997868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).