2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

C9H20ClN3O — CID 131134455

IUPAC2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCC(N)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-7(10)9(13)12-6-8-3-2-4-11-5-8;/h7-8,11H,2-6,10H2,1H3,(H,12,13);1H
InChIKeyHRAHCMNPYBFCQW-UHFFFAOYSA-N
MW221.73 g/mol
LogP-0.13
Rot. Bonds3

About 2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 131134455) has the molecular formula C9H20ClN3O and a molecular weight of 221.73 g/mol. Its IUPAC name is 2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID131134455
Molecular FormulaC9H20ClN3O
Molecular Weight221.73 g/mol
Exact Mass221.13
IUPAC Name2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCC(N)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-7(10)9(13)12-6-8-3-2-4-11-5-8;/h7-8,11H,2-6,10H2,1H3,(H,12,13);1H
InChIKeyHRAHCMNPYBFCQW-UHFFFAOYSA-N
XLogP-0.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
2-methoxy-N-(piperidin-3-ylmethyl)butanamide
CID 119461438
2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 172876281
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462657
2-(cyclopentylmethyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119460240
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126
3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide
CID 119464375

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (CID 131134455) is 2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is CC(N)C(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is HRAHCMNPYBFCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O.ClH/c1-7(10)9(13)12-6-8-3-2-4-11-5-8;/h7-8,11H,2-6,10H2,1H3,(H,12,13);1H.
What are the key properties of 2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 131134455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).