N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide

C19H30N4O2 — CID 95598555

IUPACN-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CCCN(C(C)C)C2)c1
InChIInChI=1S/C19H30N4O2/c1-14(2)23-9-5-7-17(13-23)12-21-19(25)20-11-16-6-4-8-18(10-16)22-15(3)24/h4,6,8,10,14,17H,5,7,9,11-13H2,1-3H3,(H,22,24)(H2,20,21,25)/t17-/m0/s1
InChIKeyXNCYFKKLPKYMHL-KRWDZBQOSA-N
MW346.48 g/mol
LogP2.56
Rot. Bonds6

About N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide

N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide (PubChem CID 95598555) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide
PubChem CID95598555
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CCCN(C(C)C)C2)c1
InChIInChI=1S/C19H30N4O2/c1-14(2)23-9-5-7-17(13-23)12-21-19(25)20-11-16-6-4-8-18(10-16)22-15(3)24/h4,6,8,10,14,17H,5,7,9,11-13H2,1-3H3,(H,22,24)(H2,20,21,25)/t17-/m0/s1
InChIKeyXNCYFKKLPKYMHL-KRWDZBQOSA-N
XLogP2.56
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-(3-pyrrolidin-1-ylphenyl)urea
CID 95150446
N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 56798858
1-(3-nitrophenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 47085310
N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide
CID 95598613
1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95200748
N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide
CID 95977877
(2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide
CID 95144992
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668
N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119706295
1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 94800132
N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 95263169
2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide
CID 166237669

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide (CID 95598555) is N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CCCN(C(C)C)C2)c1.
What is the InChIKey of N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide?
The InChIKey is XNCYFKKLPKYMHL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)23-9-5-7-17(13-23)12-21-19(25)20-11-16-6-4-8-18(10-16)22-15(3)24/h4,6,8,10,14,17H,5,7,9,11-13H2,1-3H3,(H,22,24)(H2,20,21,25)/t17-/m0/s1.
What are the key properties of N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide?
N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 95598555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).