N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide

C16H31N3O2 — CID 134703499

IUPACN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
SMILESCN1CCC(C)(CN(C)C(=O)C2CCN(CCO)CC2)C1
InChIInChI=1S/C16H31N3O2/c1-16(6-9-17(2)12-16)13-18(3)15(21)14-4-7-19(8-5-14)10-11-20/h14,20H,4-13H2,1-3H3
InChIKeyRMALPFOMLLUQOM-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.49
Rot. Bonds5

About N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide (PubChem CID 134703499) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
PubChem CID134703499
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
SMILESCN1CCC(C)(CN(C)C(=O)C2CCN(CCO)CC2)C1
InChIInChI=1S/C16H31N3O2/c1-16(6-9-17(2)12-16)13-18(3)15(21)14-4-7-19(8-5-14)10-11-20/h14,20H,4-13H2,1-3H3
InChIKeyRMALPFOMLLUQOM-UHFFFAOYSA-N
XLogP0.49
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(Cyclopropylmethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370196
2-(2-Hydroxyethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 14690766
2-(2-Hydroxypropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 66886078
1-(2-Ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone
CID 71147907
(2S)-2-tert-butyl-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-piperidin-1-ylbutane-1,4-dione
CID 117615922
N-(2-hydroxypropyl)-N,1-dimethylpiperidine-4-carboxamide
CID 124199657
N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124199806
2-Hydroxy-3-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one
CID 124199864
2-Hydroxy-3-methyl-1-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one
CID 124199868
N-(2-hydroxyethyl)-N,1-di(propan-2-yl)piperidine-4-carboxamide
CID 126752822
2-Hydroxy-3-methyl-1-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one
CID 126752920
2-Hydroxy-3-methyl-1-(9-propan-2-yl-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one
CID 126752921

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide (CID 134703499) is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide is CN1CCC(C)(CN(C)C(=O)C2CCN(CCO)CC2)C1.
What is the InChIKey of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is RMALPFOMLLUQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(6-9-17(2)12-16)13-18(3)15(21)14-4-7-19(8-5-14)10-11-20/h14,20H,4-13H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide?
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 134703499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).