(2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide

C15H29N3O2 — CID 131934097

IUPAC(2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCCN1CCC[C@H]1C(=O)NCCN1CCC(CO)CC1
InChIInChI=1S/C15H29N3O2/c1-2-18-8-3-4-14(18)15(20)16-7-11-17-9-5-13(12-19)6-10-17/h13-14,19H,2-12H2,1H3,(H,16,20)/t14-/m0/s1
InChIKeyKJFUMTCZVXQFMZ-AWEZNQCLSA-N
MW283.42 g/mol
LogP0.29
Rot. Bonds6

About (2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide

(2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 131934097) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID131934097
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCCN1CCC[C@H]1C(=O)NCCN1CCC(CO)CC1
InChIInChI=1S/C15H29N3O2/c1-2-18-8-3-4-14(18)15(20)16-7-11-17-9-5-13(12-19)6-10-17/h13-14,19H,2-12H2,1H3,(H,16,20)/t14-/m0/s1
InChIKeyKJFUMTCZVXQFMZ-AWEZNQCLSA-N
XLogP0.29
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
(2S)-N-cyclopropyl-1-ethylpyrrolidine-2-carboxamide
CID 89087707
CID 66737893
CID 66737893
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 122567105
1-piperidin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61020009
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide
CID 122555981
[1-[2-(pentan-3-ylamino)ethyl]piperidin-4-yl]methanol
CID 115718462
(2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide
CID 96569146
(2S)-1-ethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]pyrrolidine-2-carboxamide;formic acid
CID 154907703
(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 127023416
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide (CID 131934097) is (2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide is CCN1CCC[C@H]1C(=O)NCCN1CCC(CO)CC1.
What is the InChIKey of (2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is KJFUMTCZVXQFMZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-2-18-8-3-4-14(18)15(20)16-7-11-17-9-5-13(12-19)6-10-17/h13-14,19H,2-12H2,1H3,(H,16,20)/t14-/m0/s1.
What are the key properties of (2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide?
(2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 131934097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).