N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide

C16H31N3O2 — CID 115738511

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H31N3O2/c1-11(13-7-6-8-17-10-13)9-14(20)18-12(2)15(21)19-16(3,4)5/h11-13,17H,6-10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyRFWHYGVUZYRNHB-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.43
Rot. Bonds5

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide (PubChem CID 115738511) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
PubChem CID115738511
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H31N3O2/c1-11(13-7-6-8-17-10-13)9-14(20)18-12(2)15(21)19-16(3,4)5/h11-13,17H,6-10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyRFWHYGVUZYRNHB-UHFFFAOYSA-N
XLogP1.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(ethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119690780
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 81043922
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043690
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043605
(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044692
N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81044622
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 107824927
N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757674

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide (CID 115738511) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide is CC(NC(=O)CC(C)C1CCCNC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide?
The InChIKey is RFWHYGVUZYRNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-11(13-7-6-8-17-10-13)9-14(20)18-12(2)15(21)19-16(3,4)5/h11-13,17H,6-10H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide has a molecular weight of 297.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 115738511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).