N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide

C14H25N5O2 — CID 64829338

IUPACN-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cnn(CCO)c2)C1
InChIInChI=1S/C14H25N5O2/c15-3-4-16-14(21)13-2-1-5-18(11-13)9-12-8-17-19(10-12)6-7-20/h8,10,13,20H,1-7,9,11,15H2,(H,16,21)
InChIKeyDVBYGDYMBSLIQV-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.84
Rot. Bonds7

About N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 64829338) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID64829338
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cnn(CCO)c2)C1
InChIInChI=1S/C14H25N5O2/c15-3-4-16-14(21)13-2-1-5-18(11-13)9-12-8-17-19(10-12)6-7-20/h8,10,13,20H,1-7,9,11,15H2,(H,16,21)
InChIKeyDVBYGDYMBSLIQV-UHFFFAOYSA-N
XLogP-0.84
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916715
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 82869536
N-(2-aminoethyl)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-3-carboxamide
CID 63253060
N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81431674
N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 63253183
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63251974

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide (CID 64829338) is N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(Cc2cnn(CCO)c2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is DVBYGDYMBSLIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c15-3-4-16-14(21)13-2-1-5-18(11-13)9-12-8-17-19(10-12)6-7-20/h8,10,13,20H,1-7,9,11,15H2,(H,16,21).
What are the key properties of N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of -0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 64829338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).