N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide

C15H31N3O — CID 60807515

IUPACN-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide
SMILESCCCN(C1CCNCC1)C(C)C(=O)NC(C)CC
InChIInChI=1S/C15H31N3O/c1-5-11-18(14-7-9-16-10-8-14)13(4)15(19)17-12(3)6-2/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyVFBIPFOACLMKQS-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.75
Rot. Bonds7

About N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide

N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide (PubChem CID 60807515) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide
PubChem CID60807515
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide
SMILESCCCN(C1CCNCC1)C(C)C(=O)NC(C)CC
InChIInChI=1S/C15H31N3O/c1-5-11-18(14-7-9-16-10-8-14)13(4)15(19)17-12(3)6-2/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyVFBIPFOACLMKQS-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304037
3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide
CID 55213284
N-butan-2-yl-N-propylpiperidin-4-amine
CID 60806146
N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304566
2-[cyclopropyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 62021160
2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide
CID 66181522
4-[piperidin-4-yl(propyl)amino]pentanehydrazide
CID 63579313
2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide
CID 43137511
N-butan-2-yl-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60805793
2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide
CID 119756301
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide (CID 60807515) is N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide is CCCN(C1CCNCC1)C(C)C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide?
The InChIKey is VFBIPFOACLMKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-11-18(14-7-9-16-10-8-14)13(4)15(19)17-12(3)6-2/h12-14,16H,5-11H2,1-4H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide?
N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[piperidin-4-yl(propyl)amino]propanamide is sourced from PubChem (CID 60807515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).