N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide

C14H27N3O2 — CID 54872195

IUPACN-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)CCNC(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-13(18)16-12-6-9-17(10-7-12)14(19)5-8-15-11(2)3/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyVMDVBBPXJPQIQU-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.89
Rot. Bonds6

About N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide

N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide (PubChem CID 54872195) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide
PubChem CID54872195
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)CCNC(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-13(18)16-12-6-9-17(10-7-12)14(19)5-8-15-11(2)3/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyVMDVBBPXJPQIQU-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide
CID 60947455
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(propan-2-ylamino)propanamide
CID 60853818
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108
1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 62930053
N-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]propanamide
CID 81173098
N-[1-[3-(ethylamino)propanoyl]piperidin-4-yl]butanamide
CID 62835122
N-cyclopentyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanamide
CID 115571861
1-(4-methylsulfanylazepan-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 114237053
N-[1-(3-piperidin-4-ylpropanoyl)piperidin-4-yl]propanamide
CID 62210567
N-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]propanamide
CID 65466835
N-[1-[4-(methylamino)butanoyl]piperidin-4-yl]butanamide
CID 54871679
N-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]acetamide
CID 113402232

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide (CID 54872195) is N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)CCNC(C)C)CC1.
What is the InChIKey of N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide?
The InChIKey is VMDVBBPXJPQIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-13(18)16-12-6-9-17(10-7-12)14(19)5-8-15-11(2)3/h11-12,15H,4-10H2,1-3H3,(H,16,18).
What are the key properties of N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide?
N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 54872195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).