3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide

C15H30N4O2 — CID 167012122

IUPAC3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide
SMILESCN[C@@H](C)C(=O)NC(C(=O)N[C@H]1CCCNC1)C(C)(C)C
InChIInChI=1S/C15H30N4O2/c1-10(16-5)13(20)19-12(15(2,3)4)14(21)18-11-7-6-8-17-9-11/h10-12,16-17H,6-9H2,1-5H3,(H,18,21)(H,19,20)/t10-,11-,12?/m0/s1
InChIKeyCVTUJJNZWVFQLK-NDQFZYFBSA-N
MW298.43 g/mol
LogP-0.01
Rot. Bonds5

About 3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide

3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide (PubChem CID 167012122) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide
PubChem CID167012122
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide
SMILESCN[C@@H](C)C(=O)NC(C(=O)N[C@H]1CCCNC1)C(C)(C)C
InChIInChI=1S/C15H30N4O2/c1-10(16-5)13(20)19-12(15(2,3)4)14(21)18-11-7-6-8-17-9-11/h10-12,16-17H,6-9H2,1-5H3,(H,18,21)(H,19,20)/t10-,11-,12?/m0/s1
InChIKeyCVTUJJNZWVFQLK-NDQFZYFBSA-N
XLogP-0.01
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[1-oxo-1-(piperidin-3-ylamino)propan-2-yl]propanamide
CID 119428227
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide
CID 66608699
3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide
CID 119424701
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
N-cyclopentyl-2-(methylamino)propanamide
CID 43083499
(2S)-N-cyclobutyl-2-(methylamino)propanamide
CID 90052671
(2S)-N-cyclopentyl-2-(methylamino)propanamide
CID 28827015
N-piperidin-3-ylpropanamide
CID 3520588
1-butan-2-yl-3-piperidin-3-ylurea
CID 126971340
(2R)-2-amino-N-piperidin-3-ylbutanamide
CID 131134417
2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide
CID 103805389

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide?
The IUPAC name of 3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide (CID 167012122) is 3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide is CN[C@@H](C)C(=O)NC(C(=O)N[C@H]1CCCNC1)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide?
The InChIKey is CVTUJJNZWVFQLK-NDQFZYFBSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-10(16-5)13(20)19-12(15(2,3)4)14(21)18-11-7-6-8-17-9-11/h10-12,16-17H,6-9H2,1-5H3,(H,18,21)(H,19,20)/t10-,11-,12?/m0/s1.
What are the key properties of 3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide?
3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide has a molecular weight of 298.43 g/mol, XLogP of -0.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide is sourced from PubChem (CID 167012122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).