1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide

C14H25N3O3 — CID 115452950

IUPAC1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESNCC1(C(=O)N2CCC(C(=O)NCCCO)CC2)CC1
InChIInChI=1S/C14H25N3O3/c15-10-14(4-5-14)13(20)17-7-2-11(3-8-17)12(19)16-6-1-9-18/h11,18H,1-10,15H2,(H,16,19)
InChIKeyDBBRBEJKIAYQQR-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.54
Rot. Bonds6

About 1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide

1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 115452950) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
PubChem CID115452950
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESNCC1(C(=O)N2CCC(C(=O)NCCCO)CC2)CC1
InChIInChI=1S/C14H25N3O3/c15-10-14(4-5-14)13(20)17-7-2-11(3-8-17)12(19)16-6-1-9-18/h11,18H,1-10,15H2,(H,16,19)
InChIKeyDBBRBEJKIAYQQR-UHFFFAOYSA-N
XLogP-0.54
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60954087
1-(1-aminocyclobutanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 81172556
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62668727
3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid
CID 55049640
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438
(E)-4-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 60951820
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60953607
1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119720581
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119289710

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide (CID 115452950) is 1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide is NCC1(C(=O)N2CCC(C(=O)NCCCO)CC2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is DBBRBEJKIAYQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c15-10-14(4-5-14)13(20)17-7-2-11(3-8-17)12(19)16-6-1-9-18/h11,18H,1-10,15H2,(H,16,19).
What are the key properties of 1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide?
1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 283.37 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 115452950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).