N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide

C14H27N3O3 — CID 60953607

IUPACN-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
SMILESCC(C)NCC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C14H27N3O3/c1-11(2)16-10-13(19)17-7-4-12(5-8-17)14(20)15-6-3-9-18/h11-12,16,18H,3-10H2,1-2H3,(H,15,20)
InChIKeyPTXVBGSJYVQULL-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.28
Rot. Bonds7

About N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide

N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide (PubChem CID 60953607) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
PubChem CID60953607
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
SMILESCC(C)NCC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C14H27N3O3/c1-11(2)16-10-13(19)17-7-4-12(5-8-17)14(20)15-6-3-9-18/h11-12,16,18H,3-10H2,1-2H3,(H,15,20)
InChIKeyPTXVBGSJYVQULL-UHFFFAOYSA-N
XLogP-0.28
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.28
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

N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid
CID 55049640
1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide
CID 60963510
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438
1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62668727
1-[3-(ethylamino)propanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62835714
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
1-(1-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60954087
1-(1-aminocyclobutanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 81172556
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide (CID 60953607) is N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide is CC(C)NCC(=O)N1CCC(C(=O)NCCCO)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide?
The InChIKey is PTXVBGSJYVQULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(2)16-10-13(19)17-7-4-12(5-8-17)14(20)15-6-3-9-18/h11-12,16,18H,3-10H2,1-2H3,(H,15,20).
What are the key properties of N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide?
N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 60953607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).