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

C15H29N3O2 — CID 60947455

IUPACN-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)CCCNC(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-4-14(19)17-13-7-10-18(11-8-13)15(20)6-5-9-16-12(2)3/h12-13,16H,4-11H2,1-3H3,(H,17,19)
InChIKeyDYTHBVXPOAVPIF-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.28
Rot. Bonds7

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

N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide (PubChem CID 60947455) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide
PubChem CID60947455
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)CCCNC(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-4-14(19)17-13-7-10-18(11-8-13)15(20)6-5-9-16-12(2)3/h12-13,16H,4-11H2,1-3H3,(H,17,19)
InChIKeyDYTHBVXPOAVPIF-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide
CID 54872195
1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one
CID 60849367
1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 62086138
N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide
CID 61275650
N-[1-[4-(methylamino)butanoyl]piperidin-4-yl]butanamide
CID 54871679
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(propan-2-ylamino)propanamide
CID 60853818
ethyl 4-[4-(propan-2-ylamino)butanoyl]piperazine-1-carboxylate
CID 61041311
1-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60850574
4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one
CID 60851819
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
1-(3-tert-butylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 113417353
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide (CID 60947455) is N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)CCCNC(C)C)CC1.
What is the InChIKey of N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide?
The InChIKey is DYTHBVXPOAVPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-14(19)17-13-7-10-18(11-8-13)15(20)6-5-9-16-12(2)3/h12-13,16H,4-11H2,1-3H3,(H,17,19).
What are the key properties of N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide?
N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide has a molecular weight of 283.42 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 60947455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).